3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[2-(2-ethylanilino)-2-oxoethyl]propanamide

C20H20ClN3O4 — CID 9154506

IUPAC3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[2-(2-ethylanilino)-2-oxoethyl]propanamide
SMILESCCc1ccccc1NC(=O)CNC(=O)CCn1c(=O)oc2cc(Cl)ccc21
InChIInChI=1S/C20H20ClN3O4/c1-2-13-5-3-4-6-15(13)23-19(26)12-22-18(25)9-10-24-16-8-7-14(21)11-17(16)28-20(24)27/h3-8,11H,2,9-10,12H2,1H3,(H,22,25)(H,23,26)
InChIKeyVSJLWYOSOZBRBL-UHFFFAOYSA-N
MW401.85 g/mol
LogP2.96
Rot. Bonds7

About 3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[2-(2-ethylanilino)-2-oxoethyl]propanamide

3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[2-(2-ethylanilino)-2-oxoethyl]propanamide (PubChem CID 9154506) has the molecular formula C20H20ClN3O4 and a molecular weight of 401.85 g/mol. Its IUPAC name is 3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[2-(2-ethylanilino)-2-oxoethyl]propanamide.

Molecular Properties

Compound Name3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[2-(2-ethylanilino)-2-oxoethyl]propanamide
PubChem CID9154506
Molecular FormulaC20H20ClN3O4
Molecular Weight401.85 g/mol
Exact Mass401.11
IUPAC Name3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[2-(2-ethylanilino)-2-oxoethyl]propanamide
SMILESCCc1ccccc1NC(=O)CNC(=O)CCn1c(=O)oc2cc(Cl)ccc21
InChIInChI=1S/C20H20ClN3O4/c1-2-13-5-3-4-6-15(13)23-19(26)12-22-18(25)9-10-24-16-8-7-14(21)11-17(16)28-20(24)27/h3-8,11H,2,9-10,12H2,1H3,(H,22,25)(H,23,26)
InChIKeyVSJLWYOSOZBRBL-UHFFFAOYSA-N
XLogP2.96
TPSA93.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.85
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide
CID 9143727
3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]propanamide
CID 17400266
(2S)-2-[3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)propanoylamino]-N-ethylpropanamide
CID 9470712
N-(2-acetamido-5-chlorophenyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 47086338
3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[(1R)-1-phenylethyl]propanamide
CID 9033009
ethyl 3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)propanoate
CID 121014059
methyl 4-[3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)propanoylamino]benzoate
CID 9138841
3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-(4-propylphenyl)propanamide
CID 9225411
[2-(2-ethylanilino)-2-oxoethyl] 3-(2-oxo-1,3-benzoxazol-3-yl)propanoate
CID 8727943
3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[2-(4-methylphenoxy)ethyl]propanamide
CID 9425254
[4-[[3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)propanoylamino]methyl]phenyl]methyl-diethylazanium
CID 8948610
ethyl 3-[3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)propanoylamino]benzoate
CID 9228382

Frequently Asked Questions

What is the IUPAC name of 3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[2-(2-ethylanilino)-2-oxoethyl]propanamide?
The IUPAC name of 3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[2-(2-ethylanilino)-2-oxoethyl]propanamide (CID 9154506) is 3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[2-(2-ethylanilino)-2-oxoethyl]propanamide.
What is the SMILES notation for 3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[2-(2-ethylanilino)-2-oxoethyl]propanamide?
The canonical SMILES for 3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[2-(2-ethylanilino)-2-oxoethyl]propanamide is CCc1ccccc1NC(=O)CNC(=O)CCn1c(=O)oc2cc(Cl)ccc21.
What is the InChIKey of 3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[2-(2-ethylanilino)-2-oxoethyl]propanamide?
The InChIKey is VSJLWYOSOZBRBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O4/c1-2-13-5-3-4-6-15(13)23-19(26)12-22-18(25)9-10-24-16-8-7-14(21)11-17(16)28-20(24)27/h3-8,11H,2,9-10,12H2,1H3,(H,22,25)(H,23,26).
What are the key properties of 3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[2-(2-ethylanilino)-2-oxoethyl]propanamide?
3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[2-(2-ethylanilino)-2-oxoethyl]propanamide has a molecular weight of 401.85 g/mol, XLogP of 2.96, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[2-(2-ethylanilino)-2-oxoethyl]propanamide is sourced from PubChem (CID 9154506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).